tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine

C106H74Ir4N14-8 — CID 160547600

IUPACtetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
SMILES[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H11N2.2C15H10N3.4C11H8N.4Ir/c1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;4*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyOCMAXLOPBRMIDE-UHFFFAOYSA-N
MW2312.72 g/mol
LogP23.42
Rot. Bonds12

About tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine

tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine (PubChem CID 160547600) has the molecular formula C106H74Ir4N14-8 and a molecular weight of 2312.72 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Nametetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
PubChem CID160547600
Molecular FormulaC106H74Ir4N14-8
Molecular Weight2312.72 g/mol
Exact Mass2314.48
IUPAC Nametetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
SMILES[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H11N2.2C15H10N3.4C11H8N.4Ir/c1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;4*1-6,8-9H;;;;/q8*-1;;;;
InChIKeyOCMAXLOPBRMIDE-UHFFFAOYSA-N
XLogP23.42
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.72
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine with MolForge

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Related Compounds

pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
CID 159414504
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)-2-pyridinyl]pyridine
CID 130326858
iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 167363064
iridium;tris(2-phenylpyridine)
CID 23386734
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
bis(iridium);bis(2-phenylpyridine);2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159353497
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine
CID 157485736
iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58421120
2-(3,5-difluorobenzene-6-id-1-yl)-4-methyl-5-pyridin-3-ylpyridine;iridium;2-phenylpyridine
CID 168822034
benzene;1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;2-phenylpyrazine;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;2-phenylpyrimidine;4-phenylpyrimidine;5-phenylpyrimidine;pyrazine;pyridine;pyrimidine;1,3,5-triazine
CID 161346020

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The IUPAC name of tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine (CID 160547600) is tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine.
What is the SMILES notation for tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The canonical SMILES for tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine is [Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The InChIKey is OCMAXLOPBRMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11N2.2C15H10N3.4C11H8N.4Ir/c1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;4*1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine has a molecular weight of 2312.72 g/mol, XLogP of 23.42, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 160547600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).